General Information of the Compound
| Compound ID |
CP0242334
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| Compound Name |
US9340555, 37
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| Structure |
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| Formula |
C30H31F2N5O5S
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| Molecular Weight |
611.671
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN3CCOC(CO)C3)cc2F)c1
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| InChI |
InChI=1S/C30H31F2N5O5S/c1-18-3-5-21(31)24(13-18)36-30(40)35-23-6-4-19(14-22(23)32)42-26-7-9-33-25-15-27(43-28(25)26)29(39)34-8-2-10-37-11-12-41-20(16-37)17-38/h3-7,9,13-15,20,38H,2,8,10-12,16-17H2,1H3,(H,34,39)(H2,35,36,40)
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| InChIKey |
DNBSBOYLZWOFKX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound